UCSF

ZINC27529257

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.04 10.24 -42.17 1 6 1 45 429.581 10
Mid Mid (pH 6-8) 4.04 10.3 -44.39 1 6 1 45 429.581 10
Mid Mid (pH 6-8) 4.04 7.91 -9.67 0 6 0 43 428.573 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )